2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine

C13H9Cl2NO2S — CID 162646557

IUPAC2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-11-3-5-12(6-4-11)19(17,18)9-7-10-2-1-8-16-13(10)15/h1-9H/b9-7+
InChIKeyAQVGQLBDWUVWPI-VQHVLOKHSA-N
MW314.19 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine

2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162646557) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162646557
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-11-3-5-12(6-4-11)19(17,18)9-7-10-2-1-8-16-13(10)15/h1-9H/b9-7+
InChIKeyAQVGQLBDWUVWPI-VQHVLOKHSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
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Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
[1-(6-Chloro-3-pyridinyl)ethyl-methyl-oxo-lambda6-sulfanylidene]cyanamide
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1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
{2-[(4-Chlorophenyl)sulfanyl]-3-pyridinyl}acetonitrile
CID 826782
3-Chloro-2-[(phenylsulfonyl)methyl]-5-(trifluoromethyl)pyridine
CID 1475890
3-[(4-Chlorophenyl)sulfinyl]isonicotinonitrile
CID 1476755
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine (CID 162646557) is 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1cccnc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is AQVGQLBDWUVWPI-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-11-3-5-12(6-4-11)19(17,18)9-7-10-2-1-8-16-13(10)15/h1-9H/b9-7+.
What are the key properties of 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 314.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162646557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).